石榴叶苷
TL;DR: 石榴叶苷 (CAS 88847-11-4) is a chemical compound with molecular formula C41H30O26 and molecular weight 938.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
石榴叶苷
[6,7,8,11,12,13-hexahydroxy-3,16-dioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl] 3,4,5-trihydroxybenzoate
Also Known As: Punicafolin, KST-1B8710, 1,2,3,16,17,18-hexahydroxy-5,14-dioxo-5,7,8,11,12,14-hexahydro-10h-8,12-methanodibenzo[j,l][1,4,8]trioxacyclotetradecine-10,11,19-triyl tris(3,4,5-trihydroxybenzoate), 1,2,4-Tri-O-galloyl-3,6-(R)-hexahydroxydiphenoyl-b-D-glucopyranose, (6,7,8,11,12,13-hexahydroxy-3,16-dioxo-21,22-bis((3,4,5-trihydroxybenzoyl)oxy)-2,17,20-trioxatetracyclo(17.3.1.04,9.010,15)tricosa-4,6,8,10,12,14-hexaen-23-yl) 3,4,5-trihydroxybenzoate
| Molecular Formula | C41H30O26 |
|---|---|
| Molecular Weight | 938.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 444.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 9 |
| Exact Mass | 938.10254 |
| Heavy Atoms | 67 |
| Complexity | 1770.0 |
Chemical Identifiers
| CAS Number | 88847-11-4 |
|---|---|
| SMILES | C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O |
| InChIKey | DPBVYZVSXAZMAY-UHFFFAOYSA-N |
Product Overview
石榴叶苷 (CAS 88847-11-4), with molecular formula C41H30O26 and molecular weight 938.10 g/mol. IUPAC: [6,7,8,11,12,13-hexahydroxy-3,16-dioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 石榴叶苷
Property Insights of 石榴叶苷
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 石榴叶苷. The TPSA of 444.0 Ų indicates high polarity, suggesting 石榴叶苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 石榴叶苷 has 15 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 石榴叶苷?
The CAS number of 石榴叶苷 is 88847-11-4.
What is the molecular formula of 石榴叶苷?
The molecular formula of 石榴叶苷 is C41H30O26.
What is the molecular weight of 石榴叶苷?
The molecular weight of 石榴叶苷 is 938.10 g/mol.
Where can I buy 石榴叶苷?
You can request a quote for 石榴叶苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 石榴叶苷?
Yes, KEHONG BIO provides custom synthesis services for 石榴叶苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.